3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C21H25ClFN3O — CID 109027257

IUPAC3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)c(NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1
InChIInChI=1S/C21H25ClFN3O/c1-15-13-16(2)21(19(22)14-15)24-8-7-20(27)26-11-9-25(10-12-26)18-5-3-17(23)4-6-18/h3-6,13-14,24H,7-12H2,1-2H3
InChIKeyQXZNDINNAALPGR-UHFFFAOYSA-N
MW389.90 g/mol
LogP4.25
Rot. Bonds5

About 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 109027257) has the molecular formula C21H25ClFN3O and a molecular weight of 389.90 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID109027257
Molecular FormulaC21H25ClFN3O
Molecular Weight389.90 g/mol
Exact Mass389.17
IUPAC Name3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)c(NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1
InChIInChI=1S/C21H25ClFN3O/c1-15-13-16(2)21(19(22)14-15)24-8-7-20(27)26-11-9-25(10-12-26)18-5-3-17(23)4-6-18/h3-6,13-14,24H,7-12H2,1-2H3
InChIKeyQXZNDINNAALPGR-UHFFFAOYSA-N
XLogP4.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002242
3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027256
3-(2-chloro-4,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109038932
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275
3-(5-chloro-2-methoxyanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027259
N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide
CID 109027276
3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027274
3-(3-chloro-4-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029310
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 26680947
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 8967289
3-(2,4-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027051

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 109027257) is 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is Cc1cc(C)c(NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is QXZNDINNAALPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O/c1-15-13-16(2)21(19(22)14-15)24-8-7-20(27)26-11-9-25(10-12-26)18-5-3-17(23)4-6-18/h3-6,13-14,24H,7-12H2,1-2H3.
What are the key properties of 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 389.90 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109027257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).